SCHEMBL2109

SCHEMBL2109

FS(F)(F)(F)(F)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
PDE2A O00408 3/20 0.42
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM1A O60341 1/20 0.38
WDR5 P61964 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HAO1 Q9UJM8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31090732 0.92 ALDH1A1 (0.48) CYP2A6PDE2AALDH1A1ALOX15MAPK1
SCHEMBL1970199 0.83 PDE2A (0.52) PDE2AKDM1AHAO1
SCHEMBL12353992 0.77 CYP2A6 (0.44) CYP2A6PDE2AALDH1A1ALOX15MAPK1
SCHEMBL4620762 0.75 CYP2A6 (0.50) CYP2A6PDE2AALDH1A1ALOX15WDR5
SCHEMBL17431626 0.73 PDE2A (0.46) PDE2AALDH1A1KDM1ATDP1HAO1
SCHEMBL2490889 0.71 CYP2A6 (0.53) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL944794 0.71 PDE2A (0.44) PDE2AKDM1ACA2CA1CES2
SCHEMBL18508 0.71
SCHEMBL2220475 0.69 TRPA1 (0.43) PDE2AALDH1A1KDM1ATSHRCES2
SCHEMBL2900759 0.69 PDE2A (0.42) PDE2AKDM1AHAO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 275 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367771-B1 ARYL SULPHUR PENTAFLUORIDES MERCK PATENT GmbH (DE) 1992-09-02 EP claimed
US-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 US disclosed
EP-4665717-A2 USES OF CERTAIN 1,4-OXAZEPANE-2-CARBOXAMIDES AS DPP1 INHIBITORS Insmed Incorporated (US) 2025-12-24 EP disclosed
US-20250353828-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-11-20 US disclosed
US-20250326765-A1 PDE4B INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-10-23 US disclosed
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 EP disclosed
US-12435054-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2025-10-07 US disclosed
EP-4536639-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY Oregon Health & Science University (US) 2025-04-16 EP disclosed
EP-4534540-A1 PDE4B INHIBITOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2025-04-09 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
US-20050012072-A1 Alkyl and aryl trifluoromethoxytetrafluorosulfuranes AIR PRODUCTS AND CHEMICALS, INC. 2005-01-20 US disclosed
EP-1498467-A1 Alkyl and aryl trifluoromethoxytetrafluorosulfuranes AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-01-19 EP disclosed
US-20040249209-A1 Process for the synthesis of aryl sulfurpentafluorides AIR PRODUCTS AND CHEMICALS, INC. 2004-12-09 US disclosed
EP-1484318-A1 Process for the synthesis of aryl sulfurpentafluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-12-08 EP disclosed
US-20040079922-A1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1371712-A1 LIQUID-CRYSTAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND AND LIQUID-CRYSTAL ELECTROOPTIC ELEMENT Seimi Chemical Co., Ltd. (JP) 2003-12-17 EP disclosed
US-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250353828-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY EPX, TFEB, EPHX1 CYP2A6 1044/4885PDE2A 2161/4885ALDH1A1 2498/4885
US-20040249209-A1 Process for the synthesis of aryl sulfurpentafluorides PFAS, FLI1, AFF4 CYP2A6 74/4885PDE2A 4432/4885ALDH1A1 589/4885
US-12435054-B2 Therapeutic compounds and methods of use VHL, NQO1, PCSK9 CYP2A6 1302/4885PDE2A 2180/4885ALDH1A1 547/4885
US-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP9, DPP7, DPP4 CYP2A6 130/4885PDE2A 630/4885ALDH1A1 245/4885
US-20250326765-A1 PDE4B INHIBITOR AND USE THEREOF PDE4B, PDE4A, PDE3B CYP2A6 565/4885PDE2A 8/4885ALDH1A1 547/4885
US-20050012072-A1 Alkyl and aryl trifluoromethoxytetrafluorosulfuranes SF3A3, SFXN3, SF3B3 CYP2A6 291/4885PDE2A 4559/4885ALDH1A1 3984/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.